REMARK  Name = BDB017191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.911   0.845   0.544  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.781   1.797   1.314  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.789  -1.051   0.456  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        4.581   0.129   1.167  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        3.314   0.726   1.181  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.239   0.153   0.484  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        2.451  -1.033  -0.223  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.720  -1.626  -0.235  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        7.086  -1.193   1.047  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        5.967  -1.736   0.357  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  11
ATOM     11  C   LIG    1       -0.231   0.375  -0.354  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -1.573   0.932   0.152  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1       -2.737   0.499  -0.644  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -2.412   0.180  -2.039  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -1.282   1.054  -2.576  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1        0.016   0.804  -1.809  0.00  0.00    +0.014 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.508  -0.582  -0.022  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.321  -0.051   1.125  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -5.526   0.821   0.873  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.710  -0.580   1.386  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 5